N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide

C19H21ClN2O2 — CID 54825731

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,21H,1,11-12H2,2-3H3,(H,22,23)
InChIKeyJEXSBZPHBNGUMF-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.65
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825731) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825731
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,21H,1,11-12H2,2-3H3,(H,22,23)
InChIKeyJEXSBZPHBNGUMF-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825731) is N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1cccc(NCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is JEXSBZPHBNGUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,21H,1,11-12H2,2-3H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).